8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[2-(2,4-dimethoxynaphthalen-1-yl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[2-(2,4-dimethoxynaphthalen-1-yl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-[2-(2,4-dimethoxy-1-naphthyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-[2-(2,4-dimethoxy-1-naphthalenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[2-(2,4-dimethoxynaphthalen-1-yl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-1-[2-(2,4-dimethoxy-1-naphthyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C29H32N6O5 MolecularWeight: 544.60158

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=C(C=C(C5=CC=CC=C54)OC)OC)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=C(C=C(C5=CC=CC=C54)OC)OC)C

InChI

InChI=1S/C29H32N6O5/c1-5-6-14-34-25-26(31-28(34)33-13-9-10-18(30)16-33)32(2)29(38)35(27(25)37)17-21(36)24-20-12-8-7-11-19(20)22(39-3)15-23(24)40-4/h7-8,11-12,15,18H,9-10,13-14,16-17,30H2,1-4H3